8018-1604 Screening compound: methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate

8018-1604 Screening compound: methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
8018-1604 Screening compound: methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1604
methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8018-1604

Molecular Formula

C6H5BrN2O4 (C6 H5 BrN2 O4)

Compound Name

methyl 5-bromo-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate

IUPAC name

methyl 5-bromo-26-dioxo-1236-tetrahydropyrimidine-4-carboxylate

SMILES

COC(C(NC(NC1=O)=O)=C1Br)=O

InChI

InChI=1S/C6H5BrN2O4/c1-13-5(11)3-2(7)4(10)9-6(12)8-3/h1H3,(H2,8,9,10,12)

InChI Key

UJCPEPQYSPRWGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07023034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.013

Distribution Coefficient, logD

-2.330

Water Solubility, LogSw

-1.34

Polar Surface Area

70.448

Acid Dissociation Constant (pKa)

5.09

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8018-1604 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1604?
Check Price and Availability of 8018-1604, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8018-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1604
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8018-1604 available by request